Chemical Properties of 2,6-BIS(t-BUTYL)-4-(DIMETHYLBENZYL)PHENOL

2,6-BIS(t-BUTYL)-4-(DIMETHYLBENZYL)PHENOL

InChI
InChI=1S/C23H32O/c1-21(2,3)18-14-17(15-19(20(18)24)22(4,5)6)23(7,8)16-12-10-9-11-13-16/h9-15,24H,1-8H3
InChI Key
ROEHFIIRMUXFRR-UHFFFAOYSA-N
Formula
C23H32O
SMILES
CC(C)(C)c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)C)c1O
Molecular Weight1
324.51
Other Names
  • 2,6-bis(tert-butyl)-4-(1-methyl-1-phenylethyl)phenol
  • 2,6-Di-tert-butyl-4-(2-phenylpropan-2-yl)phenol
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Physical Properties

Property Value Unit Source
ω 0.7224 Relay (1.0) Calculated Property
ΔfH°gas -227.12 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.17 kJ/mol Joback Calculated Property
ΔvapH° 109.72 kJ/mol Relay (1.0) Calculated Property
IE 7.70 eV Relay (1.0) Calculated Property
log10WS -6.55 Relay (1.0) Calculated Property
logPoct/wat 6.313 Crippen Calculated Property
McVol 293.280 ml/mol McGowan Calculated Property
Pc 1493.04 kPa Joback Calculated Property
Inp [2083.20; 2083.20]   Show Hide
Inp 2083.20 NIST
Inp 2083.20 NIST
Tboil 598.64 K Relay (1.0) Calculated Property
Tc 906.35 K Relay (1.0) Calculated Property
Tfus 379.83 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [396.49; 989.61] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.39570e+02
Coefficient B2.44416e+00
Coefficient C-1.92748e-03
Coefficient D6.12500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 396.49 J/mol×K 273.00 Calculated Property
Cp,gas 511.00 J/mol×K 353.78 Calculated Property
Cp,gas 608.83 J/mol×K 434.56 Calculated Property
Cp,gas 691.93 J/mol×K 515.33 Calculated Property
Cp,gas 762.24 J/mol×K 596.11 Calculated Property
Cp,gas 821.68 J/mol×K 676.89 Calculated Property
Cp,gas 872.21 J/mol×K 757.67 Calculated Property
Cp,gas 915.74 J/mol×K 838.44 Calculated Property
Cp,gas 954.23 J/mol×K 919.22 Calculated Property
Cp,gas 989.61 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000732; 0.0000034] Pa×s [545.83; 773.75] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.99187e+01
Coefficient B5.67484e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.545.83
Temperature range, max.773.75
η 0.0000732 Pa×s 545.83 Calculated Property
η 0.0000462 Pa×s 571.15 Calculated Property
η 0.0000303 Pa×s 596.48 Calculated Property
η 0.0000206 Pa×s 621.80 Calculated Property
η 0.0000144 Pa×s 647.13 Calculated Property
η 0.0000103 Pa×s 672.45 Calculated Property
η 0.0000076 Pa×s 697.77 Calculated Property
η 0.0000057 Pa×s 723.10 Calculated Property
η 0.0000044 Pa×s 748.42 Calculated Property
η 0.0000034 Pa×s 773.75 Calculated Property

Similar Compounds

2,4-Bis(dimethylbenzyl)-6-t-butylphenol. Phenol, 4,4'-isopropylidene bis(2-tert-butyl)-. 2,4-BIS(DIMETHYLBENZYL)PHENOL. 4, 4'-Isopropylidenebis (2-isopropylphenol). Phenol, 2-[1-(4-hydroxyphenyl)-1-methylethyl]-. Phenol, 4,4'-methylenebis[2,6-bis(1,1-dimethylethyl)-. Benzene, 1-methoxy-2,4-bis(1-methyl-1-phenylethyl)-. 2,2'-Ethylidenebis(4,6-di-tert-butylphenol). Phenol, 4,4'-(1-methylethylidene)bis[2-methyl-. 2-TERT-BUTYL-4-METHYL-6-(A-METHYLBENZYL)PHENOL. 4,4'-Methylenebis(6-tert-butyl-o-cresol). 2-(.alpha.,.alpha.-dimethylbenzyl) phenol. Phenol, 4,4'-butylidene bis(2,6-di-tert-butyl)-. 3,3'-Di-tert-butyl-5,5'-dimethyl-2,2-dihydroxydiphenylmethane. Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-.

Find more compounds similar to 2,6-BIS(t-BUTYL)-4-(DIMETHYLBENZYL)PHENOL.

Sources

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